Geometry & MOs

Info

ID:	322523
PubChem CID:	126670368
Reduced:	NC8H17 (1)
Stoich.:	AB8C17 (1)
Weight, g/mol:	222.16198
ΔH_f, kcal/mol:	-17.67
Dipole, Da:	2.04
IP(EA), eV:	-8.22(1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,7aR)-7a-methyl-1-(2-methylpropoxy)-2,3,6,7-tetrahydro-1H-inden-5-one

Drug info:

PubChemData

Smile

CCNC(=C)C(C)(C)C

DOS

IR

Vibrations